3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)Cl)COCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)Cl)COCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H17ClN2O3S/c1-13-18-21(29-20(13)14-5-3-2-4-6-14)24-11-25(22(18)26)9-15-7-17(23)8-16-10-27-12-28-19(15)16/h2-8,11H,9-10,12H2,1H3